Dichloromethane → 3-(4-amino-1-methyl-1H-imidazol-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

HRID 1233481Notes

Reaction equation

HRID 1233481 reaction equation
[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:12][n:13]3[n:14][c:15]4[n:16]([CH2:39][CH:40]5[CH2:41][CH2:42]5)[c:17](=[O:38])[n:18]([CH3:37])[c:19](=[O:36])[c:20]4[c:21]3-[c:22]3[n:23]([CH3:35])[cH:24][c:25]([NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[n:26]3)[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:12][n:13]3[n:14][c:15]4[n:16]([CH2:39][CH:40]5[CH2:41][CH2:42]5)[c:17](=[O:38])[n:18]([CH3:37])[c:19](=[O:36])[c:20]4[c:21]3-[c:22]3[n:23]([CH3:35])[cH:24][c:25]([NH2:27])[n:26]3)[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 69426445tert-butyl 2-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-imidazol-4-ylcarbamate

Product 1

HCID 589810593-(4-amino-1-methyl-1H-imidazol-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Sources & evidence

ORD record
ord-4cadf2d8e17e478ba0f4face733aca9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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